Acetone → Nitrate

HRID 285828Notes

Reaction equation

HRID 285828 reaction equation
[CH3:32][C:33](=[O:34])[CH3:35].[OH:1][CH2:2][CH2:3][O:4][CH2:5][CH2:6][N:7]1[CH2:8][CH2:9][N:10]([C:13]2=[N:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[S:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]32)[CH2:11][CH2:12]1.[OH:28][N+:29]([O-:30])=[O:31]>>[O:28]=[N+:29]([O-:30])[O-:31].[OH:1][CH2:2][CH2:3][O:4][CH2:5][CH2:6][N:7]1[CH2:8][CH2:9][N:10]([C:13]2=[N:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[S:21][c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]32)[CH2:11][CH2:12]1

Participants

5

Reactant 3

HCID 180AcetoneHCID 944Nitric AcidHCID 5002Quetiapine

Product 2

HCID 943NitrateHCID 5002Quetiapine

Sources & evidence

ORD record
ord-ab583269ff5148c69acd4534d29cd0b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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